1-[(1-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]azepane

Systemtic Name: 1-[(1-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]azepane Openeye Name: 1-[[1-(2-thienyl)-1,2,4-triazol-3-yl]methyl]azepane CAS Name: 1-[(1-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]azepane IUPAC Name: 1-[(1-thiophen-2-yl-1,2,4-triazol-3-yl)methyl]azepane Traditional Name: 1-[[1-(2-thienyl)-1,2,4-triazol-3-yl]methyl]azepane Formula: C13H18N4S MolecularWeight: 262.37382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=NN(C=N2)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)CC2=NN(C=N2)C3=CC=CS3

InChI

InChI=1S/C13H18N4S/c1-2-4-8-16(7-3-1)10-12-14-11-17(15-12)13-6-5-9-18-13/h5-6,9,11H,1-4,7-8,10H2